SEQ2FUN

BioLiP

PDB CCD ID: A1IPI
Number of entries in BioLiP: 0
Chemical formula: C4 H3 F7 O
InChI: InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2
InChIKey: DFEYYRMXOJXZRJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FCOC(C(F)(F)F)C(F)(F)F
OpenEye OEToolkits 2.0.7C(OC(C(F)(F)F)C(F)(F)F)F
Name:sevoflurane;
1,1,1,3,3,3-hexakis(fluoranyl)-2-(fluoranylmethoxy)propane;
sevorane
ChEMBL: CHEMBL1200694
DrugBank: DB01236
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).